N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide

C13H17ClN2O — CID 4308425

IUPACN-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1N1CCCC1
InChIInChI=1S/C13H17ClN2O/c1-2-12(17)15-11-7-5-6-10(14)13(11)16-8-3-4-9-16/h5-7H,2-4,8-9H2,1H3,(H,15,17)
InChIKeyRUZRZMIRDZZHEB-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.29
Rot. Bonds3

About N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide

N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 4308425) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
PubChem CID4308425
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1N1CCCC1
InChIInChI=1S/C13H17ClN2O/c1-2-12(17)15-11-7-5-6-10(14)13(11)16-8-3-4-9-16/h5-7H,2-4,8-9H2,1H3,(H,15,17)
InChIKeyRUZRZMIRDZZHEB-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-piperidin-1-ylphenyl)propanamide
CID 4297017
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CID 17027292
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
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N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
CID 952456
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500
2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide
CID 134064860
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476
N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429
4-butoxy-N-(3-chloro-2-pyrrolidin-1-ylphenyl)benzamide
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N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide
CID 1252929

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide (CID 4308425) is N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide is CCC(=O)Nc1cccc(Cl)c1N1CCCC1.
What is the InChIKey of N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is RUZRZMIRDZZHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-2-12(17)15-11-7-5-6-10(14)13(11)16-8-3-4-9-16/h5-7H,2-4,8-9H2,1H3,(H,15,17).
What are the key properties of N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide?
N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 252.74 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 4308425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).